ChemSpider 2D Image | 4-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)phenyl beta-D-glucopyranosiduronic acid | C21H18O11

4-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC21H18O11
  • Average mass446.361 Da
  • Monoisotopic mass446.084900 Da
  • ChemSpider ID29813968

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[4-(β-D-glucopyranuronosyloxy)phenyl]-5,7-dihydroxy- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 4-(5,7-dihydroxy-4-oxo-4H-chromén-3-yl)phényle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
245084-07-5 [RN]
4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-3-yl)phenyl β-D-glucopyranosiduronic acid
Genistein 4�?β-D-Glucuronide
Genistein 4'-O-glucuronide

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 814.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 289.5±27.8 °C
Index of Refraction: 1.740
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 103.3±3.0 dyne/cm
Molar Volume: 256.9±3.0 cm3

Click to predict properties on the Chemicalize site


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